4-tert-butyl-2-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carbonitrile;2-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine

C61H43F2N23OS6 — CID 160601107

About 4-tert-butyl-2-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carbonitrile;2-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine

4-tert-butyl-2-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carbonitrile;2-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 160601107) has the molecular formula C61H43F2N23OS6 and a molecular weight of 1344.57 g/mol. Its IUPAC name is 4-tert-butyl-2-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carbonitrile;2-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carbonitrile;2-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 160601107
• Molecular Formula: C61H43F2N23OS6
• Molecular Weight: 1344.57 g/mol
• Exact Mass: 1343.23
• IUPAC Name: 4-tert-butyl-2-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carbonitrile;2-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: CC(C)(C)c1nc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)sc1C#N.COc1ccc2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2n1.Fc1cc(F)c2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2c1
• InChI: InChI=1S/C21H18N8S2.C20H11F2N7S2.C20H14N8OS2/c1-21(2,3)17-15(9-22)31-20(26-17)28-19-25-14-6-7-30-16(14)18(27-19)24-12-4-5-13-11(8-12)10-23-29-13;21-10-6-12(22)16-15(7-10)31-20(26-16)28-19-25-14-3-4-30-17(14)18(27-19)24-11-1-2-13-9(5-11)8-23-29-13;1-29-15-5-4-14-18(25-15)31-20(24-14)27-19-23-13-6-7-30-16(13)17(26-19)22-11-2-3-12-10(8-11)9-21-28-12/h4-8,10H,1-3H3,(H,23,29)(H2,24,25,26,27,28);1-8H,(H,23,29)(H2,24,25,26,27,28);2-9H,1H3,(H,21,28)(H2,22,23,24,26,27)
• InChIKey: REHCQIPHIVWLGY-UHFFFAOYSA-N
• XLogP: 16.69
• TPSA: 320.14 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1344.57
LogP ≤ 5	16.69
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carbonitrile;2-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 4-tert-butyl-2-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carbonitrile;2-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 160601107) is 4-tert-butyl-2-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carbonitrile;2-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-tert-butyl-2-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carbonitrile;2-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 4-tert-butyl-2-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carbonitrile;2-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine is CC(C)(C)c1nc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)sc1C#N.COc1ccc2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2n1.Fc1cc(F)c2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2c1.

What is the InChIKey of 4-tert-butyl-2-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carbonitrile;2-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is REHCQIPHIVWLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8S2.C20H11F2N7S2.C20H14N8OS2/c1-21(2,3)17-15(9-22)31-20(26-17)28-19-25-14-6-7-30-16(14)18(27-19)24-12-4-5-13-11(8-12)10-23-29-13;21-10-6-12(22)16-15(7-10)31-20(26-16)28-19-25-14-3-4-30-17(14)18(27-19)24-11-1-2-13-9(5-11)8-23-29-13;1-29-15-5-4-14-18(25-15)31-20(24-14)27-19-23-13-6-7-30-16(13)17(26-19)22-11-2-3-12-10(8-11)9-21-28-12/h4-8,10H,1-3H3,(H,23,29)(H2,24,25,26,27,28);1-8H,(H,23,29)(H2,24,25,26,27,28);2-9H,1H3,(H,21,28)(H2,22,23,24,26,27).

What are the key properties of 4-tert-butyl-2-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carbonitrile;2-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

4-tert-butyl-2-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carbonitrile;2-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1344.57 g/mol, XLogP of 16.69, 13 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carbonitrile;2-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 160601107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).